[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

C143H127F5N24O14S — CID 161393790

IUPAC[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(O)CO)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCN4CCCC4=O)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)n3c2)ccc1F
InChIInChI=1S/C36H34FN5O4.C31H26FN5O2.C27H26FN5O2.C26H20FN5O3S.C23H21FN4O3/c1-22-16-23(11-13-29(22)37)33-28(9-7-15-38-33)24-12-14-32-40-19-31(42(32)20-24)34(43)45-21-26(41-35(44)46-36(2,3)4)17-25-18-39-30-10-6-5-8-27(25)30;1-19-13-20(8-10-26(19)32)30-25(6-4-12-34-30)21-9-11-29-36-16-28(37(29)17-21)31(38)39-18-23(33)14-22-15-35-27-7-3-2-5-24(22)27;1-18-15-19(7-9-22(18)28)26-21(5-2-11-29-26)20-8-10-24-31-16-23(33(24)17-20)27(35)30-12-4-14-32-13-3-6-25(32)34;1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35;1-14-9-15(4-6-19(14)24)22-18(3-2-8-25-22)16-5-7-21-26-11-20(28(21)12-16)23(31)27-10-17(30)13-29/h5-16,18-20,26,39H,17,21H2,1-4H3,(H,41,44);2-13,15-17,23,35H,14,18,33H2,1H3;2,5,7-11,15-17H,3-4,6,12-14H2,1H3,(H,30,35);2-15H,1H3,(H,31,33)(H2,28,34,35);2-9,11-12,17,29-30H,10,13H2,1H3,(H,27,31)/t26-;23-;;;/m00.../s1
InChIKeyVTIGETSTNKLCTL-QGTQICMTSA-N
MW2532.80 g/mol
LogP24.26
Rot. Bonds33

About [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 161393790) has the molecular formula C143H127F5N24O14S and a molecular weight of 2532.80 g/mol. Its IUPAC name is [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID161393790
Molecular FormulaC143H127F5N24O14S
Molecular Weight2532.80 g/mol
Exact Mass2530.96
IUPAC Name[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(O)CO)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCN4CCCC4=O)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)n3c2)ccc1F
InChIInChI=1S/C36H34FN5O4.C31H26FN5O2.C27H26FN5O2.C26H20FN5O3S.C23H21FN4O3/c1-22-16-23(11-13-29(22)37)33-28(9-7-15-38-33)24-12-14-32-40-19-31(42(32)20-24)34(43)45-21-26(41-35(44)46-36(2,3)4)17-25-18-39-30-10-6-5-8-27(25)30;1-19-13-20(8-10-26(19)32)30-25(6-4-12-34-30)21-9-11-29-36-16-28(37(29)17-21)31(38)39-18-23(33)14-22-15-35-27-7-3-2-5-24(22)27;1-18-15-19(7-9-22(18)28)26-21(5-2-11-29-26)20-8-10-24-31-16-23(33(24)17-20)27(35)30-12-4-14-32-13-3-6-25(32)34;1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35;1-14-9-15(4-6-19(14)24)22-18(3-2-8-25-22)16-5-7-21-26-11-20(28(21)12-16)23(31)27-10-17(30)13-29/h5-16,18-20,26,39H,17,21H2,1-4H3,(H,41,44);2-13,15-17,23,35H,14,18,33H2,1H3;2,5,7-11,15-17H,3-4,6,12-14H2,1H3,(H,30,35);2-15H,1H3,(H,31,33)(H2,28,34,35);2-9,11-12,17,29-30H,10,13H2,1H3,(H,27,31)/t26-;23-;;;/m00.../s1
InChIKeyVTIGETSTNKLCTL-QGTQICMTSA-N
XLogP24.26
TPSA507.71 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002532.80
LogP ≤ 524.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-(benzenesulfonyl)-N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate;tert-butyl N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate;3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzenesulfonamide;N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;methyl 3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 159316082
tert-butyl N-(benzenesulfonyl)-N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate;tert-butyl N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbamate;ethane;3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzenesulfonamide;N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;methyl 3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;toluene
CID 161105232
[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(3-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 159005233
[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 159060644
[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;N-(3-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 160498346
[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 160847452
[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 161435607
[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(3-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 161597786
[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(3-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(2-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(3-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 162215830
[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(3-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(2-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(3-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 162255583

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 161393790) is [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(O)CO)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCN4CCCC4=O)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)n3c2)ccc1F.
What is the InChIKey of [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is VTIGETSTNKLCTL-QGTQICMTSA-N. The full InChI is InChI=1S/C36H34FN5O4.C31H26FN5O2.C27H26FN5O2.C26H20FN5O3S.C23H21FN4O3/c1-22-16-23(11-13-29(22)37)33-28(9-7-15-38-33)24-12-14-32-40-19-31(42(32)20-24)34(43)45-21-26(41-35(44)46-36(2,3)4)17-25-18-39-30-10-6-5-8-27(25)30;1-19-13-20(8-10-26(19)32)30-25(6-4-12-34-30)21-9-11-29-36-16-28(37(29)17-21)31(38)39-18-23(33)14-22-15-35-27-7-3-2-5-24(22)27;1-18-15-19(7-9-22(18)28)26-21(5-2-11-29-26)20-8-10-24-31-16-23(33(24)17-20)27(35)30-12-4-14-32-13-3-6-25(32)34;1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35;1-14-9-15(4-6-19(14)24)22-18(3-2-8-25-22)16-5-7-21-26-11-20(28(21)12-16)23(31)27-10-17(30)13-29/h5-16,18-20,26,39H,17,21H2,1-4H3,(H,41,44);2-13,15-17,23,35H,14,18,33H2,1H3;2,5,7-11,15-17H,3-4,6,12-14H2,1H3,(H,30,35);2-15H,1H3,(H,31,33)(H2,28,34,35);2-9,11-12,17,29-30H,10,13H2,1H3,(H,27,31)/t26-;23-;;;/m00.../s1.
What are the key properties of [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 2532.80 g/mol, XLogP of 24.26, 33 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 161393790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).